(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

C20H19ClN4O — CID 9216828

IUPAC(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CCOCC2)cc1
InChIInChI=1S/C20H19ClN4O/c21-18-8-6-16(7-9-18)20-17(14-22-24-10-12-26-13-11-24)15-25(23-20)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2/b22-14-
InChIKeyODTJOWHHXMJSAV-HMAPJEAMSA-N
MW366.85 g/mol
LogP3.86
Rot. Bonds4

About (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 9216828) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID9216828
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CCOCC2)cc1
InChIInChI=1S/C20H19ClN4O/c21-18-8-6-16(7-9-18)20-17(14-22-24-10-12-26-13-11-24)15-25(23-20)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2/b22-14-
InChIKeyODTJOWHHXMJSAV-HMAPJEAMSA-N
XLogP3.86
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
CID 6162232
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
(E)-1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 6902900
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
CID 9216790
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 2318060
4-chloro-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
CID 3493540
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 9216828) is (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N\N2CCOCC2)cc1.
What is the InChIKey of (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is ODTJOWHHXMJSAV-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-8-6-16(7-9-18)20-17(14-22-24-10-12-26-13-11-24)15-25(23-20)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2/b22-14-.
What are the key properties of (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 366.85 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 9216828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).